Journal
JOURNAL OF CHEMINFORMATICS
Volume 5, Issue -, Pages -Publisher
BIOMED CENTRAL LTD
DOI: 10.1186/1758-2946-5-28
Keywords
TCM; In vivo; Metabolism; Metabolite; Biotransformation; Structure search
Categories
Funding
- Ministry of Science and Technology China [2012ZX10005001-004, 2010CB833601, 2008BAI64B01, 2008BAI64B02, 2009FY120100]
- National Natural Science Foundation of China [30900832, 31171272, 31100956, 61173117]
- Research Fund for the Doctoral Program of Higher Education of China [20100072110008]
- Shanghai Pujiang talent funding [11PJ1407400]
- National 863 program [2012AA020405]
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Background: Herbal medicine has long been viewed as a valuable asset for potential new drug discovery and herbal ingredients' metabolites, especially the in vivo metabolites were often found to gain better pharmacological, pharmacokinetic and even better safety profiles compared to their parent compounds. However, these herbal metabolite information is still scattered and waiting to be collected. Description: HIM database manually collected so far the most comprehensive available in-vivo metabolism information for herbal active ingredients, as well as their corresponding bioactivity, organs and/or tissues distribution, toxicity, ADME and the clinical research profile. Currently HIM contains 361 ingredients and 1104 corresponding in-vivo metabolites from 673 reputable herbs. Tools of structural similarity, substructure search and Lipinski's Rule of Five are also provided. Various links were made to PubChem, PubMed, TCM-ID (Traditional Chinese Medicine Information database) and HIT (Herbal ingredients' targets databases). Conclusions: A curated database HIM is set up for the in vivo metabolites information of the active ingredients for Chinese herbs, together with their corresponding bioactivity, toxicity and ADME profile. HIM is freely accessible to academic researchers at http://www.bioinformatics.org.cn/.
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